SCHEMBL26568667

SCHEMBL26568667

CC(C)(C)c1ccc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
S1PR4 O95977 1/20 0.33
S1PR5 Q9H228 1/20 0.33
TNF P01375 1/20 0.33
NOD1 Q9Y239 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
PARP14 Q460N5 1/20 0.32
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR1I2 O75469 1/20 0.31
LMNA P02545 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
ACHE P22303 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26568759 0.97 ALOX5 (0.38) ALOX5TNKSTNKS2S1PR4S1PR5
SCHEMBL26568673 0.95 TNKS (0.36) ALOX5TNKSTNKS2S1PR4S1PR5
SCHEMBL26568671 0.94 ALOX5 (0.38) ALOX5TNKSTNKS2S1PR4S1PR5
SCHEMBL26573648 0.93 ALOX5 (0.39) ALOX5TNKSTNKS2S1PR4S1PR5
SCHEMBL26570009 0.93 ALOX5 (0.39) ALOX5TNKSTNKS2S1PR4S1PR5
SCHEMBL26568743 0.93 TNKS (0.36) ALOX5TNKSTNKS2S1PR4S1PR5
SCHEMBL26568066 0.93 ALOX5 (0.38) ALOX5TNKSTNKS2S1PR4S1PR5
SCHEMBL26585175 0.92 ALOX5 (0.44) ALOX5TNKSTNKS2PARP14LIMK1
SCHEMBL26568929 0.92 ALOX5 (0.38) ALOX5TNKSTNKS2S1PR4S1PR5
SCHEMBL26569829 0.91 ALOX5 (0.43) ALOX5TNKSTNKS2PARP14LIMK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023182323-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-09-28 WO disclosed